2-methyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one

C11H17N3OS — CID 136778331

IUPAC2-methyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCSC1CCC(Nc2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C11H17N3OS/c1-7-12-10(6-11(15)13-7)14-8-3-4-9(5-8)16-2/h6,8-9H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyMWSKVGSVVATHFU-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.77
Rot. Bonds3

About 2-methyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one

2-methyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136778331) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
PubChem CID136778331
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-methyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCSC1CCC(Nc2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C11H17N3OS/c1-7-12-10(6-11(15)13-7)14-8-3-4-9(5-8)16-2/h6,8-9H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyMWSKVGSVVATHFU-UHFFFAOYSA-N
XLogP1.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(propylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one
CID 64722862
2-[3-(ethylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one
CID 64723062
2-methyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723617
4-(6-methylsulfanylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723619
2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723620
2-propan-2-yl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726591
2-methyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726598
2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726600
4-[(3-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730577
2-cyclopropyl-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730578
2-ethyl-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730583
2-methyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730584

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one (CID 136778331) is 2-methyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one is CSC1CCC(Nc2cc(=O)[nH]c(C)n2)C1.
What is the InChIKey of 2-methyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is MWSKVGSVVATHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-12-10(6-11(15)13-7)14-8-3-4-9(5-8)16-2/h6,8-9H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-methyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 239.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136778331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).